CID 6445756

2-chloro-1-phenylvinyl diethyl phosphate

Structural Information

Molecular Formula
C12H16ClO4P
SMILES
CCOP(=O)(OCC)O/C(=C/Cl)/C1=CC=CC=C1
InChI
InChI=1S/C12H16ClO4P/c1-3-15-18(14,16-4-2)17-12(10-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10+
InChIKey
LPHRLQIUJWZJDT-ZRDIBKRKSA-N
Compound name
[(E)-2-chloro-1-phenylethenyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.0475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.05478 163.4
[M+Na]+ 313.03672 170.6
[M-H]- 289.04022 165.7
[M+NH4]+ 308.08132 180.4
[M+K]+ 329.01066 167.6
[M+H-H2O]+ 273.04476 155.7
[M+HCOO]- 335.04570 186.4
[M+CH3COO]- 349.06135 197.9
[M+Na-2H]- 311.02217 165.7
[M]+ 290.04695 171.2
[M]- 290.04805 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe